(2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide

C16H14Br2FNO3 — CID 59129777

IUPAC(2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(COc1ccc(Br)cc1)C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C16H14Br2FNO3/c1-16(22,9-23-12-5-2-10(17)3-6-12)15(21)20-11-4-7-13(18)14(19)8-11/h2-8,22H,9H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyABSJPVOYCKURQM-INIZCTEOSA-N
MW447.10 g/mol
LogP4.12
Rot. Bonds5

About (2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide

(2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide (PubChem CID 59129777) has the molecular formula C16H14Br2FNO3 and a molecular weight of 447.10 g/mol. Its IUPAC name is (2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide
PubChem CID59129777
Molecular FormulaC16H14Br2FNO3
Molecular Weight447.10 g/mol
Exact Mass444.93
IUPAC Name(2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(COc1ccc(Br)cc1)C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C16H14Br2FNO3/c1-16(22,9-23-12-5-2-10(17)3-6-12)15(21)20-11-4-7-13(18)14(19)8-11/h2-8,22H,9H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyABSJPVOYCKURQM-INIZCTEOSA-N
XLogP4.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.10
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 58619254
(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
CID 58619244
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876
N-(4-bromo-3-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 65436510
2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
CID 155532276
3-(4-bromo-3-fluoroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821308
(2S)-N-(4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 142885777
(2S)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methyl-3-(4-methylphenoxy)propanamide
CID 58592438
(2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitroso-3-(trifluoromethyl)phenyl]propanamide
CID 142885807
2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 23572084
2-hydroxy-3-(4-hydroxyphenoxy)-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 123428105

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide (CID 59129777) is (2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide is C[C@](O)(COc1ccc(Br)cc1)C(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of (2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide?
The InChIKey is ABSJPVOYCKURQM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14Br2FNO3/c1-16(22,9-23-12-5-2-10(17)3-6-12)15(21)20-11-4-7-13(18)14(19)8-11/h2-8,22H,9H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide?
(2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide has a molecular weight of 447.10 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 59129777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).